UCSF

ZINC36638020

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.55 15.67 -39.14 1 6 1 56 490.649 11
Hi High (pH 8-9.5) 6.55 13.12 -11.74 0 6 0 55 489.641 11

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )